Compound Detail
CHEMBL2385480
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Basic Information
| ChEMBL ID | CHEMBL2385480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWDYQHCEZVYJNX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
-0.35
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Collagenase 3 CHEMBL280 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
| Matrilysin CHEMBL4073 | Ki | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | Ki | = | 23.0 | nM | 7.64 | Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH... | 24900710 |
| Collagenase 3 | Ki | = | 49.0 | nM | 7.31 | Inhibition of MMP13 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH... | 24900710 |
| Neutrophil collagenase | Ki | = | 75.0 | nM | 7.12 | Inhibition of MMP8 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2... | 24900710 |
| Interstitial collagenase | Ki | = | 5700.0 | nM | 5.24 | Inhibition of MMP1 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2... | 24900710 |
| Matrilysin | Ki | = | 10700.0 | nM | 4.97 | Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2... | 24900710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900710 | 10.1021/ml300446a | Matrilysin | 1 |
| 24900710 | 10.1021/ml300446a | Interstitial collagenase | 1 |
| 24900710 | 10.1021/ml300446a | Collagenase 3 | 1 |
| 24900710 | 10.1021/ml300446a | Macrophage metalloelastase | 1 |
| 24900710 | 10.1021/ml300446a | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine